In silico approaches to identify polyphenol compounds as α-glucosidase and α-amylase inhibitors against type-II diabetes
Type-II diabetes mellitus (T2DM) results from a combination of genetic and lifestyle factors,
and the prevalence of T2DM is increasing worldwide. Clinically, both α-glucosidase and α …
and the prevalence of T2DM is increasing worldwide. Clinically, both α-glucosidase and α …
[HTML][HTML] A narrative review: The pharmaceutical evolution of phenolic syringaldehyde
J Wu, YS Fu, K Lin, X Huang, Y Chen, D Lai… - Biomedicine & …, 2022 - Elsevier
To better understand the pharmacological characters of syringaldehyde (SA), which is a key-
odorant compound of whisky and brandy, this review article is the first to compile the …
odorant compound of whisky and brandy, this review article is the first to compile the …
[HTML][HTML] Artificial intelligence in antidiabetic drug discovery: The advances in QSAR and the prediction of α-glucosidase inhibitors
Artificial Intelligence is transforming drug discovery, particularly in the hit identification phase
of therapeutic compounds. One tool that has been instrumental in this transformation is …
of therapeutic compounds. One tool that has been instrumental in this transformation is …
Machine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds
Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial
death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria …
death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria …
Chemical Profile and Biological Activities of Fungal Strains Isolated from Piper nigrum Roots: Experimental and Computational Approaches
ND Luyen, LM Huong, NTT Ha, NT Tra… - Chemistry & …, 2023 - Wiley Online Library
The current report describes the chemical investigation and biological activity of extracts
produced by three fungal strains Fusarium oxysporum, Penicillium simplicissimum, and …
produced by three fungal strains Fusarium oxysporum, Penicillium simplicissimum, and …
Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds: density functional theory and quantitative structure …
GM Casanola-Martin, J Wang, J Zhou… - Journal of Molecular …, 2025 - Springer
Methods In the present study, all the BODIPY models studied were fully optimized, and the
corresponding absorption spectrum was obtained at DFT/TDDFT//B3LYP/6-311G (d, p) …
corresponding absorption spectrum was obtained at DFT/TDDFT//B3LYP/6-311G (d, p) …
A fuzzy system classification approach for QSAR modeling of α-amylase and α-Glucosidase Inhibitors
Introduction: This report proposes the application of a new Machine Learning algorithm
called Fuzzy Unordered Rules Induction Algorithm (FURIA)-C in the classification of druglike …
called Fuzzy Unordered Rules Induction Algorithm (FURIA)-C in the classification of druglike …
Machine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds
Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial
death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria …
death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria …
[PDF][PDF] MOL2NET, International Conference Series on Multidisciplinary Sciences
MM Nachimba-Mayanchi, K Diéguez-Santana - sciforum.net
MOL2NET, 2021, 7, ISSN: 2624-5078 2 https://mol2net-07. sciforum. net/bahia). The optimal
nonlinear model (Random Forest, R2= 0.983) was verified by internal (leave one cross …
nonlinear model (Random Forest, R2= 0.983) was verified by internal (leave one cross …
[PDF][PDF] NANOBIOMAT-07: Nanotech. & Mat. Sci. Congress, Birmingham & Portsmouth, UK-Jackson & Fargo, USA, 2021.
K Diéguez-Santanaa, H González-Díaz - sciforum.net
The emergence of Multidrug-Resistant (MDR) strains promotes the improvement of
Antibacterial Drugs (AD). Some nanoparticles (NP) may be AD carriers, but some have …
Antibacterial Drugs (AD). Some nanoparticles (NP) may be AD carriers, but some have …